The tight-binding model study of the role of electron occupancy on the ferromagnetic gap in graphene-on-substrate

Q4 Chemistry
Rashmirekha Swain, S. Sahu, G. C. Rout
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引用次数: 0

Abstract

We propose here a theoretical model for graphene in its ferromagnetic phase. The Hamiltonian describes electron hoppings up-to-third-nearest neighbours for graphene-on-substrate. The sub-lattice coulomb interactions within mean-field approach involve the total electron occupancy and ferromagnetic magnetisations (FMs). The temperature dependent ferromagnetic magnetisation and hence, the ferromagnetic gap are derived from the electron Green's functions and are solved self-consistently. The result shows that the magnitude of the ferromagnetic gap and the critical coulomb interaction strongly depend on total electron occupancy. The critical coulomb interaction decreases with increase of electron occupancy and the vice-versa.
电子占据对石墨烯铁磁间隙影响的紧束缚模型研究
我们在这里提出了石墨烯在铁磁相中的理论模型。哈密顿量描述了石墨烯在衬底上的电子跃迁到第三近邻。平均场方法中的亚晶格库仑相互作用涉及总电子占有率和铁磁磁化(FM)。依赖于温度的铁磁磁化以及铁磁间隙是从电子格林函数导出的,并且是自洽求解的。结果表明,铁磁间隙的大小和临界库仑相互作用在很大程度上取决于总电子占有率。临界库仑相互作用随电子占有率的增加而减小,反之亦然。
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来源期刊
International Journal of Nano and Biomaterials
International Journal of Nano and Biomaterials Chemistry-Physical and Theoretical Chemistry
CiteScore
1.20
自引率
0.00%
发文量
0
期刊介绍: In recent years, frontiers of research in engineering, science and technology have been driven by developments in nanomaterials, encompassing a diverse range of disciplines such as materials science, biomedical engineering, nanomedicine and biology, manufacturing technology, biotechnology, nanotechnology, and nanoelectronics. IJNBM provides an interdisciplinary vehicle covering these fields. Advanced materials inspired by biological systems and processes are likely to influence the development of novel technologies for a wide variety of applications from vaccines to artificial tissues and organs to quantum computers. Topics covered include Nanostructured materials/surfaces/interfaces Synthesis of nanostructures Biological/biomedical materials Artificial organs/tissues Tissue engineering Bioengineering materials Medical devices Functional/structural nanomaterials Carbon-based materials Nanomaterials characterisation Novel applications of nanomaterials Modelling of behaviour of nanomaterials Nanomaterials for biomedical applications Biological response to nanomaterials.
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